(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)-4-(2-pyrazol-1-ylethyl)morpholine

C12H18N6O — CID 96512312

IUPAC(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)-4-(2-pyrazol-1-ylethyl)morpholine
SMILESCc1nc([C@@H]2CN(CCn3cccn3)CCO2)n[nH]1
InChIInChI=1S/C12H18N6O/c1-10-14-12(16-15-10)11-9-17(7-8-19-11)5-6-18-4-2-3-13-18/h2-4,11H,5-9H2,1H3,(H,14,15,16)/t11-/m0/s1
InChIKeyRWSXKSLCDVGZSB-NSHDSACASA-N
MW262.32 g/mol
LogP0.38
Rot. Bonds4

About (2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)-4-(2-pyrazol-1-ylethyl)morpholine

(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)-4-(2-pyrazol-1-ylethyl)morpholine (PubChem CID 96512312) has the molecular formula C12H18N6O and a molecular weight of 262.32 g/mol. Its IUPAC name is (2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)-4-(2-pyrazol-1-ylethyl)morpholine.

Molecular Properties

Compound Name(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)-4-(2-pyrazol-1-ylethyl)morpholine
PubChem CID96512312
Molecular FormulaC12H18N6O
Molecular Weight262.32 g/mol
Exact Mass262.15
IUPAC Name(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)-4-(2-pyrazol-1-ylethyl)morpholine
SMILESCc1nc([C@@H]2CN(CCn3cccn3)CCO2)n[nH]1
InChIInChI=1S/C12H18N6O/c1-10-14-12(16-15-10)11-9-17(7-8-19-11)5-6-18-4-2-3-13-18/h2-4,11H,5-9H2,1H3,(H,14,15,16)/t11-/m0/s1
InChIKeyRWSXKSLCDVGZSB-NSHDSACASA-N
XLogP0.38
TPSA71.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(2-cyclobutylpyrazol-3-yl)methyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine
CID 136568499
2-(5-methyl-1H-1,2,4-triazol-3-yl)-4-(thiadiazol-5-ylmethyl)morpholine
CID 136543263
(2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)-4-(2-pyrazol-1-ylethyl)morpholine
CID 95144845
(2S)-4-[3-(3-chlorophenoxy)propyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine
CID 95780268
(2S)-2-(6-methoxynaphthalen-2-yl)-4-(2-pyrazol-1-ylethyl)morpholine
CID 95545477
N-methyl-2-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 129461872
(2S)-4-[(2-chloro-5-fluorophenyl)methyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine
CID 99827008
[3-(4-ethylmorpholin-2-yl)-1H-1,2,4-triazol-5-yl]methanol
CID 79669524
1-[2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 167930673
(2S)-4-(2-ethylsulfonylphenyl)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine
CID 124882973
(2R)-1-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 98775062
(2S)-2-[3-(difluoromethoxy)phenyl]-4-(2-pyrazol-1-ylethyl)morpholine
CID 124571996

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)-4-(2-pyrazol-1-ylethyl)morpholine?
The IUPAC name of (2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)-4-(2-pyrazol-1-ylethyl)morpholine (CID 96512312) is (2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)-4-(2-pyrazol-1-ylethyl)morpholine.
What is the SMILES notation for (2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)-4-(2-pyrazol-1-ylethyl)morpholine?
The canonical SMILES for (2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)-4-(2-pyrazol-1-ylethyl)morpholine is Cc1nc([C@@H]2CN(CCn3cccn3)CCO2)n[nH]1.
What is the InChIKey of (2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)-4-(2-pyrazol-1-ylethyl)morpholine?
The InChIKey is RWSXKSLCDVGZSB-NSHDSACASA-N. The full InChI is InChI=1S/C12H18N6O/c1-10-14-12(16-15-10)11-9-17(7-8-19-11)5-6-18-4-2-3-13-18/h2-4,11H,5-9H2,1H3,(H,14,15,16)/t11-/m0/s1.
What are the key properties of (2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)-4-(2-pyrazol-1-ylethyl)morpholine?
(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)-4-(2-pyrazol-1-ylethyl)morpholine has a molecular weight of 262.32 g/mol, XLogP of 0.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)-4-(2-pyrazol-1-ylethyl)morpholine is sourced from PubChem (CID 96512312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).